tert-butyl N-[[5-ethyl-4-[5-ethyl-4-(5-ethyl-4-methyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]methyl]carbamate

C22H30N4O5 — CID 71079147

IUPACtert-butyl N-[[5-ethyl-4-[5-ethyl-4-(5-ethyl-4-methyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]methyl]carbamate
SMILESCCc1oc(-c2nc(-c3nc(CNC(=O)OC(C)(C)C)oc3CC)oc2CC)nc1C
InChIInChI=1S/C22H30N4O5/c1-8-13-12(4)24-19(29-13)18-15(10-3)30-20(26-18)17-14(9-2)28-16(25-17)11-23-21(27)31-22(5,6)7/h8-11H2,1-7H3,(H,23,27)
InChIKeyQPDSYMSMJIXFMD-UHFFFAOYSA-N
MW430.51 g/mol
LogP5.00
Rot. Bonds7

About tert-butyl N-[[5-ethyl-4-[5-ethyl-4-(5-ethyl-4-methyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]methyl]carbamate

tert-butyl N-[[5-ethyl-4-[5-ethyl-4-(5-ethyl-4-methyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]methyl]carbamate (PubChem CID 71079147) has the molecular formula C22H30N4O5 and a molecular weight of 430.51 g/mol. Its IUPAC name is tert-butyl N-[[5-ethyl-4-[5-ethyl-4-(5-ethyl-4-methyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-ethyl-4-[5-ethyl-4-(5-ethyl-4-methyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]methyl]carbamate
PubChem CID71079147
Molecular FormulaC22H30N4O5
Molecular Weight430.51 g/mol
Exact Mass430.22
IUPAC Nametert-butyl N-[[5-ethyl-4-[5-ethyl-4-(5-ethyl-4-methyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]methyl]carbamate
SMILESCCc1oc(-c2nc(-c3nc(CNC(=O)OC(C)(C)C)oc3CC)oc2CC)nc1C
InChIInChI=1S/C22H30N4O5/c1-8-13-12(4)24-19(29-13)18-15(10-3)30-20(26-18)17-14(9-2)28-16(25-17)11-23-21(27)31-22(5,6)7/h8-11H2,1-7H3,(H,23,27)
InChIKeyQPDSYMSMJIXFMD-UHFFFAOYSA-N
XLogP5.00
TPSA116.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[[5-ethyl-4-[5-ethyl-4-(5-ethyl-4-methyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-5-carboxylic acid
CID 154853416
tert-butyl N-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]carbamate
CID 9079211
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 66929171
tert-butyl N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]carbamate
CID 23404363
ethyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylate
CID 10588096
tert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 165033228
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-5-carboxylic acid
CID 170910216
tert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate
CID 158874937
tert-butyl N-[3-[[[N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]pentan-3-yl]carbamate
CID 109430131
ethyl N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]carbamate
CID 110666364
tert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate
CID 122608960
tert-butyl N-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]carbamate
CID 169336984

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-ethyl-4-[5-ethyl-4-(5-ethyl-4-methyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-ethyl-4-[5-ethyl-4-(5-ethyl-4-methyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]methyl]carbamate (CID 71079147) is tert-butyl N-[[5-ethyl-4-[5-ethyl-4-(5-ethyl-4-methyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-ethyl-4-[5-ethyl-4-(5-ethyl-4-methyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-ethyl-4-[5-ethyl-4-(5-ethyl-4-methyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]methyl]carbamate is CCc1oc(-c2nc(-c3nc(CNC(=O)OC(C)(C)C)oc3CC)oc2CC)nc1C.
What is the InChIKey of tert-butyl N-[[5-ethyl-4-[5-ethyl-4-(5-ethyl-4-methyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]methyl]carbamate?
The InChIKey is QPDSYMSMJIXFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5/c1-8-13-12(4)24-19(29-13)18-15(10-3)30-20(26-18)17-14(9-2)28-16(25-17)11-23-21(27)31-22(5,6)7/h8-11H2,1-7H3,(H,23,27).
What are the key properties of tert-butyl N-[[5-ethyl-4-[5-ethyl-4-(5-ethyl-4-methyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]methyl]carbamate?
tert-butyl N-[[5-ethyl-4-[5-ethyl-4-(5-ethyl-4-methyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]methyl]carbamate has a molecular weight of 430.51 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-ethyl-4-[5-ethyl-4-(5-ethyl-4-methyl-1,3-oxazol-2-yl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]methyl]carbamate is sourced from PubChem (CID 71079147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).